[(E)-3-(4-methoxyphenyl)but-2-enyl] carbamimidothioate

Systemtic Name: [(E)-3-(4-methoxyphenyl)but-2-enyl] carbamimidothioate Openeye Name: 2-[(E)-3-(4-methoxyphenyl)but-2-enyl]isothiourea CAS Name: carbamimidothioic acid [(E)-3-(4-methoxyphenyl)but-2-enyl] ester IUPAC Name: [(E)-3-(4-methoxyphenyl)but-2-enyl] carbamimidothioate Traditional Name: 2-[(E)-3-(4-methoxyphenyl)but-2-enyl]isothiourea Formula: C12H16N2OS MolecularWeight: 236.33324

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCSC(=N)N)C1=CC=C(C=C1)OC

Isomeric SMILES

C/C(=C\CSC(=N)N)/C1=CC=C(C=C1)OC

InChI

InChI=1S/C12H16N2OS/c1-9(7-8-16-12(13)14)10-3-5-11(15-2)6-4-10/h3-7H,8H2,1-2H3,(H3,13,14)/b9-7+